SCHEMBL5807282

SCHEMBL5807282

COC(C)OCOc1c(Br)cccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SRC P12931 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
LMNA P02545 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP2A6 P11509 1/20 0.31
PRKDC P78527 1/20 0.31
MAPT P10636 2/20 0.30
CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29940732 0.82 CA1 (0.45) CA1CA2SRCNPC1RAB9A
SCHEMBL1806253 0.82 CA1 (0.45) CA1CA2SRCNPC1RAB9A
SCHEMBL640294 0.77 ALDH1A1 (0.56) SRCNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1303053 0.76 CA1 (0.40) CA1CA2SRCNPC1RAB9A
SCHEMBL10265246 0.76 LMNA (0.50) CA1CA2SRCNPC1RAB9A
SCHEMBL6389985 0.75 SMN1; SMN2 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6324 0.74 LMNA (0.43) CA1CA2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1293351 0.73 CA1 (0.61) CA1CA2SRCNPC1RAB9A
SCHEMBL22011034 0.72 CA1 (0.43) CA1CA2SRCALDH1A1SMN1; SMN2
SCHEMBL5807275 0.72 CA1 (0.39) CA1CA2SRCNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed